Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Pshemak Maslak
On 4/1/2011 1:24 PM, Paul Pillot wrote: > The Cristallography Open Database is a good open resource for cif files : > http://www.crystallography.net/ > -Paul > Thank you: a very good source of cif files, indeed. PM -- C

Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Pshemak Maslak
On 4/1/2011 1:13 PM, Robert Hanson wrote: It does, and it doesn't always work properly for all metals. So you may have to do some connect commands for a given specific case to get it exactly the way you want it. I like the brevity of that file format. Is there a good source of cif

Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Paul Pillot
The Cristallography Open Database is a good open resource for cif files : http://www.crystallography.net/ -Paul Le 1 avr. 2011 à 16:58, Pshemak Maslak a écrit : > Is there a good source of cif files for (crystalline) elements somewhere? > This would help to avoid "manual" mistakes and cases whe

Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Robert Hanson
On Fri, Apr 1, 2011 at 9:58 AM, Pshemak Maslak wrote: > On 4/1/2011 10:18 AM, Robert Hanson wrote: > > > > On Fri, Apr 1, 2011 at 9:10 AM, Pshemak Maslak wrote: > > My questions: >> >> Where is the connectivity information in that file? The Jmol shows the >> nice tetrahedron "subunits" {1,1,1}

Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Pshemak Maslak
On 4/1/2011 10:18 AM, Robert Hanson wrote: On Fri, Apr 1, 2011 at 9:10 AM, Pshemak Maslak > wrote: My questions: Where is the connectivity information in that file? The Jmol shows the nice tetrahedron "subunits" {1,1,1} with "bonds" between atoms. Is

Re: [Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Robert Hanson
On Fri, Apr 1, 2011 at 9:10 AM, Pshemak Maslak wrote: My questions: > > Where is the connectivity information in that file? The Jmol shows the > nice tetrahedron "subunits" {1,1,1} with "bonds" between atoms. Is that > based on proximity of these atoms? > > exactly Could I manually generate a ci

[Jmol-users] baby-steps in crystal structures

2011-04-01 Thread Pshemak Maslak
I am just beginning to learn and explore display of crystal structures in Jmol. For now, I am just looking at elements and their basic crystal lattices. I have started with excellent Jmol Crystal Symmetry Explorer (http://chemapps.stolaf.edu/jmol/docs/examples-11/jcse/explore.htm) [Thank